N4-cyclopentyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclopentyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclopentyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclopentyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: cyclopentyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3)OC

InChI

InChI=1S/C19H25N5O4/c1-27-15-8-7-13(11-16(15)28-2)9-10-20-18-17(24(25)26)19(22-12-21-18)23-14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H2,20,21,22,23)